orbital_charges     :real:2:9,8
  0.125427391832808E+001  0.479768517489778E+000  0.479768517489778E+000
  0.479768517489778E+000  0.199811955746717E+001  0.199811955746717E+001
  0.199971921105567E+001  0.199811955746717E+001  0.199971921105567E+001
  0.176938376891689E+001  0.118107988859087E+001  0.118107988859087E+001
  0.118107988859087E+001  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.125427391832808E+001  0.479768517489778E+000  0.479768517489777E+000
  0.479768517489778E+000  0.199811955746717E+001  0.199811955746717E+001
  0.199971921105567E+001  0.199811955746717E+001  0.199971921105567E+001
  0.176938376891690E+001  0.118107988859087E+001  0.118107988859088E+001
  0.118107988859087E+001  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.125427391832808E+001  0.479768517489776E+000  0.479768517489776E+000
  0.479768517489776E+000  0.199811955746717E+001  0.199811955746717E+001
  0.199971921105567E+001  0.199811955746717E+001  0.199971921105567E+001
  0.176938376891689E+001  0.118107988859087E+001  0.118107988859088E+001
  0.118107988859087E+001  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.125427391832808E+001  0.479768517489776E+000  0.479768517489775E+000
  0.479768517489776E+000  0.199811955746717E+001  0.199811955746717E+001
  0.199971921105567E+001  0.199811955746717E+001  0.199971921105567E+001
  0.176938376891689E+001  0.118107988859087E+001  0.118107988859087E+001
  0.118107988859087E+001  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,8
  0.710423473521127E-014 -0.963964151556862E-015  0.289720504531576E-014
 -0.961155906508478E-015 -0.127407522512928E-014  0.149320883349086E-015
 -0.243002232919176E-014  0.991611306955242E-015  0.207321139422678E-014
 -0.149319858391458E-014 -0.473258550940924E-014  0.210025914592314E-014
 -0.153414607406699E-014  0.368021585428480E-014  0.132522031542903E-014
  0.828369755404036E-015  0.255598215756353E-014 -0.767511202054058E-014
 -0.164202419022930E-014 -0.280222893500603E-014  0.543402128849735E-015
  0.122623265708111E-015  0.254744142447194E-014 -0.142138904812850E-014
stress              :real:2:3,3
 -0.673675074211292E-006 -0.643263477007829E-017  0.157690833312044E-016
  0.160058087432557E-018 -0.673675074209666E-006  0.366526887151892E-017
  0.110161351998834E-016  0.685008371632756E-017 -0.673675074209456E-006
mermin_energy       :real:0:
 -0.395292014289565E+002
end_coords          :real:2:3,8
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.276339262367219E+001  0.276339262367219E+001  0.276339262367220E+001
  0.552678524734440E+001  0.552678524734440E+001  0.104797145473089E-013
  0.829017787101659E+001  0.829017787101660E+001  0.276339262367221E+001
  0.552678524734440E+001 -0.419485141885099E-013  0.552678524734440E+001
  0.829017787101659E+001  0.276339262367215E+001  0.829017787101661E+001
 -0.442966377747940E-013  0.552678524734440E+001  0.552678524734440E+001
  0.276339262367215E+001  0.829017787101659E+001  0.829017787101661E+001
